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Geometry for CH3SCH3 (Dimethyl sulfide) 1A1 C2V

1910171554
InChI=1S/C2H6S/c1-3-2/h1-2H3 INChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N

HF/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.6651   0.0000 0.6651 0.0000
C2 0.0000 1.3583 -0.5106   1.3583 -0.5106 0.0000
C3 0.0000 -1.3583 -0.5106   -1.3583 -0.5106 0.0000
H4 0.0000 2.2933 0.0404   2.2933 0.0404 0.0000
H5 0.0000 -2.2933 0.0404   -2.2933 0.0404 0.0000
H6 0.8796 1.3458 -1.1491   1.3458 -1.1491 0.8796
H7 -0.8796 1.3458 -1.1491   1.3458 -1.1491 -0.8796
H8 -0.8796 -1.3458 -1.1491   -1.3458 -1.1491 -0.8796
H9 0.8796 -1.3458 -1.1491   -1.3458 -1.1491 0.8796
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7 H8 H9
S1 1.7965 1.7965 2.3768 2.3768 2.4241 2.4241 2.4241 2.4241
C2 1.7965 2.7167 1.0852 3.6929 1.0870 1.0870 2.9144 2.9144
C3 1.7965 2.7167 3.6929 1.0852 2.9144 2.9144 1.0870 1.0870
H4 2.3768 1.0852 3.6929 4.5866 1.7568 1.7568 3.9283 3.9283
H5 2.3768 3.6929 1.0852 4.5866 3.9283 3.9283 1.7568 1.7568
H6 2.4241 1.0870 2.9144 1.7568 3.9283 1.7592 3.2155 2.6916
H7 2.4241 1.0870 2.9144 1.7568 3.9283 1.7592 2.6916 3.2155
H8 2.4241 2.9144 1.0870 3.9283 1.7568 3.2155 2.6916 1.7592
H9 2.4241 2.9144 1.0870 3.9283 1.7568 2.6916 3.2155 1.7592
Maximum atom distance is 4.5866Å between atoms H4 and H5.
picture of Dimethyl sulfide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 S1 C3 98.245
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 108.612 S1 C2 H6 112.068
S1 C2 H7 112.068 S1 C3 H5 108.612
S1 C3 H8 112.068 S1 C3 H9 112.068
H4 C2 H6 107.950 H4 C2 H7 107.950
H5 C3 H8 107.950 H5 C3 H9 107.950
H6 C2 H7 108.036 H8 C3 H9 108.036

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.